SCHEMBL4528706

SCHEMBL4528706

CS(=O)(=O)Nc1ccccc1-c1ccc2c(NCCO)nc(N)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.47
FEN1 P39748 3/20 0.47
LIMK1 P53667 1/20 0.46
MCL1 Q07820 1/20 0.44
APP P05067 2/20 0.44
PTPN1 P18031 1/20 0.43
KDM1A O60341 1/20 0.42
DHFR P00374 4/20 0.42
METAP2 P50579 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
MAPK1 P28482 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL4522676 0.93 PTPN1 (0.44) ALOX5APFEN1LIMK1MCL1APP
SCHEMBL4521108 0.88 APP (0.44) ALOX5APFEN1APPPTPN1DHFR
SCHEMBL4530789 0.86 LIMK1 (0.50) ALOX5APFEN1LIMK1MCL1PTPN1
SCHEMBL4525583 0.84 APP (0.48) APPPTPN1DHFRNLRP3MAPK1
SCHEMBL4522679 0.83 ALOX5AP (0.42) ALOX5APFEN1LIMK1MCL1APP
SCHEMBL4527349 0.82 PTPN1 (0.47) ALOX5APFEN1APPPTPN1DHFR
SCHEMBL4528868 0.81 PTPN1 (0.49) ALOX5APFEN1APPPTPN1DHFR
SCHEMBL4533722 0.79 APP (0.46) ALOX5APFEN1APPPTPN1DHFR
SCHEMBL4528877 0.79 APP (0.44) APPPTPN1DHFRNLRP3MAPK1
SCHEMBL4536277 0.79 CHUK (0.46) APPPTPN1DHFRNLRP3CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885LIMK1 1734/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALOX5AP 3709/4885FEN1 3010/4885LIMK1 1734/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.